ON THE EVALUATION OF NONADIABATIC COUPLING MATRIX-ELEMENTS FOR MCSCF/CL WAVE-FUNCTIONS .4. 2ND DERIVATIVE TERMS USING ANALYTIC GRADIENT METHODS

被引：38

作者：

SAXE, P ^{[1
]}

YARKONY, DR ^{[1
]}

机构：

[1] JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 86卷 / 01期

关键词：

D O I：

10.1063/1.452621

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：321 / 328

页数：8

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